(3R)-3-tri(propan-2-yl)silyloxyhexadecanal

C25H52O2Si — CID 16741866

IUPAC(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
SMILESCCCCCCCCCCCCC[C@H](CC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H52O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-25(20-21-26)27-28(22(2)3,23(4)5)24(6)7/h21-25H,8-20H2,1-7H3/t25-/m1/s1
InChIKeyHNXIALQNEQXFPW-RUZDIDTESA-N
MW412.78 g/mol
LogP8.84
Rot. Bonds19

About (3R)-3-tri(propan-2-yl)silyloxyhexadecanal

(3R)-3-tri(propan-2-yl)silyloxyhexadecanal (PubChem CID 16741866) has the molecular formula C25H52O2Si and a molecular weight of 412.78 g/mol. Its IUPAC name is (3R)-3-tri(propan-2-yl)silyloxyhexadecanal.

Molecular Properties

Compound Name(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
PubChem CID16741866
Molecular FormulaC25H52O2Si
Molecular Weight412.78 g/mol
Exact Mass412.37
IUPAC Name(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
SMILESCCCCCCCCCCCCC[C@H](CC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H52O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-25(20-21-26)27-28(22(2)3,23(4)5)24(6)7/h21-25H,8-20H2,1-7H3/t25-/m1/s1
InChIKeyHNXIALQNEQXFPW-RUZDIDTESA-N
XLogP8.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methoxydecanal
CID 58437054
(3S)-3-(2-methoxypropan-2-yloxy)tetradecanal
CID 10518344
[(3S)-1-oxotetradecan-3-yl] acetate
CID 118532907
3-propan-2-yloxyheptanal
CID 90280852
(2S,3S,5S)-2-hexyl-3-hydroxy-5-tri(propan-2-yl)silyloxyhexadecanoic acid
CID 25140052
1-oxohexadecan-3-yl tetradecanoate
CID 54377556
1-oxotridecan-3-yl heptadecanoate
CID 54507993
1-oxopentadecan-3-yl octadecanoate
CID 54081284
1-oxotetradecan-3-yl tetradecanoate
CID 19756105
(3S)-3-hexyl-4-[2-tri(propan-2-yl)silyloxytridecyl]oxetan-2-one
CID 46781698
3-tri(propan-2-yl)silyloxybutanal
CID 46210548
3-nonyldodecanal
CID 142613821

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tri(propan-2-yl)silyloxyhexadecanal?
The IUPAC name of (3R)-3-tri(propan-2-yl)silyloxyhexadecanal (CID 16741866) is (3R)-3-tri(propan-2-yl)silyloxyhexadecanal.
What is the SMILES notation for (3R)-3-tri(propan-2-yl)silyloxyhexadecanal?
The canonical SMILES for (3R)-3-tri(propan-2-yl)silyloxyhexadecanal is CCCCCCCCCCCCC[C@H](CC=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-tri(propan-2-yl)silyloxyhexadecanal?
The InChIKey is HNXIALQNEQXFPW-RUZDIDTESA-N. The full InChI is InChI=1S/C25H52O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-25(20-21-26)27-28(22(2)3,23(4)5)24(6)7/h21-25H,8-20H2,1-7H3/t25-/m1/s1.
What are the key properties of (3R)-3-tri(propan-2-yl)silyloxyhexadecanal?
(3R)-3-tri(propan-2-yl)silyloxyhexadecanal has a molecular weight of 412.78 g/mol, XLogP of 8.84, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tri(propan-2-yl)silyloxyhexadecanal is sourced from PubChem (CID 16741866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).